3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C19H20F3NOS — CID 18267708

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20F3NOS/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyXQFAJSFKJPJDGX-UHFFFAOYSA-N
MW367.44 g/mol
LogP5.12
Rot. Bonds6

About 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 18267708) has the molecular formula C19H20F3NOS and a molecular weight of 367.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID18267708
Molecular FormulaC19H20F3NOS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1ccc(SCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20F3NOS/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyXQFAJSFKJPJDGX-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
3-(2,5-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 8871410
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
CID 5078279
tert-butyl N-[2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylethyl]carbamate
CID 84557459
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 159159618
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 18267708) is 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1ccc(SCCC(=O)NCc2cccc(C(F)(F)F)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is XQFAJSFKJPJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NOS/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 367.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 18267708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).